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Ligand

NameCHEMBL88435
Molecular formulaC22H31N5O
IUPAC nameN,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
Molecular weight381.524
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50408205
Inchi KeyPLJCELRWRGZCMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H31N5O/c1-18-8-4-5-10-20(18)27-16-14-26(15-17-27)13-7-12-24-21-19(9-6-11-23-21)22(28)25(2)3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24)
PubChem CID10833725
ChEMBLCHEMBL88435
IUPHARN/A
BindingDB50408205
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
262641Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
262642Alpha-1A adrenergic receptorO02824ADRA1AOryctolagus cuniculus (Rabbit)466
262640Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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